#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n ALA 2 N 0.00 0.00 -3.76 3.17 0.00 -1.26 -5.16 120.51 113.50 2hgu n ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2hgu n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2hgu n ALA 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2hgu s HIS 3 N 0.00 0.82 -0.32 0.00 5.04 -1.26 -5.00 115.29 114.57 2hgu s HIS 3 Ca 0.00 -0.27 0.04 0.00 -1.54 0.00 0.00 55.06 53.29 2hgu s HIS 3 Cb 0.00 -0.85 0.33 0.00 0.04 0.00 0.00 32.58 32.10 2hgu s HIS 3 CO 0.00 -0.33 1.41 0.36 -2.34 0.00 0.00 174.74 173.84 2hgu n LYS 4 N 4.90 0.13 0.00 2.88 2.85 -1.26 -5.14 118.16 122.52 2hgu n LYS 4 Ca -0.11 -0.68 0.00 0.00 -1.05 0.00 0.00 58.31 56.47 2hgu n LYS 4 Cb 0.50 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 2hgu n LYS 4 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2hgu n LYS 5 N 0.54 0.00 0.00 -1.58 4.81 -1.26 -5.00 118.16 115.66 2hgu n LYS 5 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2hgu n LYS 5 Cb 0.76 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.81 2hgu n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgu n GLY 6 N 0.00 4.27 0.00 3.14 0.00 -1.26 -5.14 105.19 106.20 2hgu n GLY 6 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2hgu n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgu n LEU 7 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.95 117.00 116.10 2hgu n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2hgu n LEU 7 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2hgu n LEU 7 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2hgu n GLY 8 N 0.00 1.54 2.61 -0.72 0.00 -1.26 -5.05 105.19 102.31 2hgu n GLY 8 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2hgu n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hgu n SER 9 N 0.00 7.38 0.00 1.61 7.64 -1.26 -4.98 113.62 124.02 2hgu n SER 9 Ca 0.00 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.57 2hgu n SER 9 Cb 0.00 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 2hgu n SER 9 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hgu n THR 10 N 1.38 0.00 0.00 0.44 -2.24 -1.26 -5.08 114.28 107.53 2hgu n THR 10 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 2hgu n THR 10 Cb 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2hgu n THR 10 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2hgu n ARG 11 N 0.00 0.00 -3.54 -0.78 1.85 -1.26 -5.07 116.66 107.86 2hgu n ARG 11 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 2hgu n ARG 11 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 2hgu n ARG 11 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2hgu s ASN 12 N 0.00 2.85 -0.89 2.89 0.01 -1.26 -5.07 114.94 113.47 2hgu s ASN 12 Ca 0.00 -2.66 -0.14 0.00 -0.71 0.00 0.00 52.86 49.35 2hgu s ASN 12 Cb 0.00 -0.66 0.21 0.00 0.41 0.00 0.00 41.25 41.21 2hgu s ASN 12 CO 0.00 -0.24 0.88 -0.83 -1.51 0.00 0.00 177.10 175.39 2hgu s GLY 13 N 0.43 2.63 0.17 0.66 0.00 -1.26 -5.03 107.32 104.92 2hgu s GLY 13 Ca 0.22 -3.31 0.11 0.00 0.00 0.00 0.00 44.72 41.74 2hgu s GLY 13 CO -0.06 1.39 -0.24 0.50 0.00 0.00 0.00 173.10 174.69 2hgu s ARG 14 N 0.37 1.52 0.00 2.90 1.81 -1.26 -5.14 118.95 119.15 2hgu s ARG 14 Ca 0.22 -1.43 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 2hgu s ARG 14 Cb -0.09 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.51 2hgu s ARG 14 CO -0.09 0.42 0.00 -3.47 -0.68 0.00 0.00 175.30 171.49 2hgu n ASP 15 N 0.51 0.00 0.00 0.23 2.03 -1.26 -5.15 116.55 112.92 2hgu n ASP 15 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2hgu n ASP 15 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2hgu n ASP 15 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2hgu n SER 16 N 0.00 0.00 -3.39 1.67 3.41 -1.26 -5.14 113.62 108.91 2hgu n SER 16 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2hgu n SER 16 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2hgu n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgu n GLN 17 N 0.00 0.00 -1.88 4.33 3.00 -1.26 -4.70 117.38 116.87 2hgu n GLN 17 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2hgu n GLN 17 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 30.24 29.46 2hgu n GLN 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hgu s ALA 18 N -1.15 3.31 1.00 -1.58 0.00 -1.26 -5.03 121.76 117.05 2hgu s ALA 18 Ca 0.48 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2hgu s ALA 18 Cb -0.57 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2hgu s ALA 18 CO 0.48 -1.05 0.00 1.17 0.00 0.00 0.00 175.76 176.35 2hgu n LYS 19 N 0.03 2.25 0.02 0.00 4.81 -1.26 -5.09 118.16 118.92 2hgu n LYS 19 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2hgu n LYS 19 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 2hgu n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hgu n ARG 20 N 0.00 0.00 0.00 1.64 3.00 -1.26 -5.15 116.66 114.89 2hgu n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgu n ARG 20 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.43 2hgu n ARG 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2hgu n LEU 21 N -2.64 0.00 0.00 0.55 7.94 -1.26 -5.01 117.00 116.58 2hgu n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hgu n LEU 21 Cb 0.00 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2hgu n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2hgu n GLY 22 N -0.09 1.80 3.52 -3.96 0.00 -0.02 -4.76 105.19 101.67 2hgu n GLY 22 Ca 0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2hgu n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgu s VAL 23 N -1.95 4.02 -0.41 1.61 1.01 -1.26 -1.37 120.40 122.05 2hgu s VAL 23 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2hgu s VAL 23 Cb 0.00 -4.88 0.43 0.00 0.00 0.00 0.00 36.38 31.94 2hgu s VAL 23 CO 0.00 -1.74 1.21 0.29 0.00 0.00 0.00 175.10 174.86 2hgu n LYS 24 N 8.56 3.45 -2.83 2.72 5.02 -0.25 -4.86 118.16 129.97 2hgu n LYS 24 Ca 0.10 -4.30 -0.04 0.00 -2.02 0.00 0.00 58.31 52.06 2hgu n LYS 24 Cb 0.49 -2.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 2hgu n LYS 24 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2hgu s ARG 25 N -3.60 1.04 0.61 1.97 1.81 -1.22 -4.72 118.95 114.83 2hgu s ARG 25 Ca 0.50 -0.97 -0.11 0.00 -1.72 0.00 0.00 55.73 53.43 2hgu s ARG 25 Cb 0.41 -0.05 -0.09 0.00 -0.45 0.00 0.00 34.95 34.77 2hgu s ARG 25 CO -0.10 -1.31 -0.52 2.48 -0.68 0.00 0.00 175.30 175.16 2hgu n TYR 26 N 3.15 -3.03 -2.09 -0.53 0.18 -1.26 -4.86 117.16 108.73 2hgu n TYR 26 Ca 0.17 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.55 2hgu n TYR 26 Cb 0.56 -0.87 -0.02 0.00 -0.38 0.00 0.00 39.34 38.63 2hgu n TYR 26 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 2hgu s GLU 27 N -1.21 4.33 0.00 -3.48 2.56 -1.26 -3.59 118.70 116.05 2hgu s GLU 27 Ca 0.24 2.24 0.00 0.00 0.00 0.00 0.00 54.97 57.45 2hgu s GLU 27 Cb -0.10 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 32.97 2hgu s GLU 27 CO 0.50 -0.21 0.00 0.41 -0.56 0.00 0.00 175.26 175.39 2hgu n GLY 28 N 0.77 1.76 0.00 -1.50 0.00 -0.34 -4.90 105.19 100.97 2hgu n GLY 28 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2hgu n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hgu n GLN 29 N 0.00 0.00 -1.65 1.61 7.27 -1.24 -0.45 117.38 122.92 2hgu n GLN 29 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2hgu n GLN 29 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 2hgu n GLN 29 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2hgu s VAL 30 N 0.00 3.00 -0.15 1.69 -7.23 -1.26 -1.13 120.40 115.33 2hgu s VAL 30 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2hgu s VAL 30 Cb 0.00 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.97 2hgu s VAL 30 CO 0.00 -0.00 -0.05 0.68 -0.31 0.00 0.00 175.10 175.42 2hgu s VAL 31 N 5.59 1.02 -0.03 1.32 -7.23 -0.07 -4.90 120.40 116.11 2hgu s VAL 31 Ca 0.92 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 2hgu s VAL 31 Cb -0.40 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 2hgu s VAL 31 CO 0.40 0.19 0.30 -0.13 -0.31 0.00 0.00 175.10 175.54 2hgu s ARG 32 N 1.68 3.70 0.62 4.82 0.52 -1.26 -1.10 118.95 127.93 2hgu s ARG 32 Ca 0.02 0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 2hgu s ARG 32 Cb -0.14 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 2hgu s ARG 32 CO -0.08 0.71 0.89 0.00 0.02 0.00 0.00 175.30 176.83 2hgu n ALA 33 N 1.71 -0.11 0.00 2.13 0.00 -0.91 -1.03 120.51 122.30 2hgu n ALA 33 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2hgu n ALA 33 Cb 0.53 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2hgu n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 34 N 1.36 3.06 3.80 0.00 0.00 -0.28 -4.94 105.19 108.18 2hgu n GLY 34 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2hgu n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hgu s ASN 35 N 0.62 6.80 0.14 1.61 0.02 -0.20 -4.91 114.94 119.02 2hgu s ASN 35 Ca 0.00 0.95 -0.02 0.00 -1.02 0.00 0.00 52.86 52.77 2hgu s ASN 35 Cb 0.00 -2.27 -0.05 0.00 0.02 0.00 0.00 41.25 38.95 2hgu s ASN 35 CO 0.00 0.23 0.34 -0.51 0.02 0.00 0.00 177.10 177.17 2hgu s ILE 36 N -0.57 5.24 -0.01 0.60 1.10 -1.26 -0.68 121.20 125.61 2hgu s ILE 36 Ca 0.25 -0.23 -0.06 0.00 -0.51 0.00 0.00 60.65 60.10 2hgu s ILE 36 Cb -0.16 -3.66 -0.02 0.00 0.15 0.00 0.00 42.46 38.76 2hgu s ILE 36 CO 0.13 -0.01 -0.11 0.00 -2.11 0.00 0.00 174.94 172.84 2hgu n LEU 37 N -0.13 1.07 -4.06 8.50 -0.00 0.11 -4.81 117.00 117.68 2hgu n LEU 37 Ca -0.04 0.16 -0.28 0.00 -0.00 0.00 0.00 56.01 55.85 2hgu n LEU 37 Cb 0.52 -0.43 -0.17 0.00 -0.00 0.00 0.00 43.42 43.35 2hgu n LEU 37 CO 0.49 -0.54 -0.49 0.68 -0.00 0.00 0.00 177.39 177.54 2hgu s VAL 38 N -2.01 1.44 -0.23 1.47 -7.23 -1.07 -1.09 120.40 111.68 2hgu s VAL 38 Ca -0.09 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.34 2hgu s VAL 38 Cb 0.01 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 2hgu s VAL 38 CO 0.13 0.43 0.19 -0.13 -0.31 0.00 0.00 175.10 175.41 2hgu s ARG 39 N 0.85 4.10 -0.08 4.82 0.52 -0.47 -0.58 118.95 128.11 2hgu s ARG 39 Ca -0.10 -0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2hgu s ARG 39 Cb -0.15 -3.52 0.04 0.00 0.52 0.00 0.00 34.95 31.83 2hgu s ARG 39 CO 0.01 0.08 0.06 1.14 0.02 0.00 0.00 175.30 176.60 2hgu s GLN 40 N 1.01 0.09 -0.06 3.54 1.03 -0.27 -0.84 119.66 124.15 2hgu s GLN 40 Ca 0.09 0.20 -0.03 0.00 0.04 0.00 0.00 55.36 55.67 2hgu s GLN 40 Cb -0.13 -0.94 -0.07 0.00 0.03 0.00 0.00 33.01 31.89 2hgu s GLN 40 CO 0.04 -0.41 2.65 0.54 -2.54 0.00 0.00 175.29 175.57 2hgu n ARG 41 N 5.26 1.54 0.00 9.60 5.12 -1.26 -4.51 116.66 132.41 2hgu n ARG 41 Ca -0.05 -0.69 0.00 0.00 -1.93 0.00 0.00 57.85 55.18 2hgu n ARG 41 Cb 0.50 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 2hgu n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgu n GLY 42 N 1.70 1.38 2.70 -0.13 0.00 -1.26 -5.07 105.19 104.51 2hgu n GLY 42 Ca 0.22 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 2hgu n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hgu n THR 43 N 0.00 0.69 1.08 2.61 -1.04 -1.26 -4.75 114.28 111.61 2hgu n THR 43 Ca 0.00 -2.43 0.13 0.00 -2.04 0.00 0.00 64.05 59.71 2hgu n THR 43 Cb 0.00 0.90 0.43 0.00 -1.82 0.00 0.00 70.33 69.83 2hgu n THR 43 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2hgu n ARG 44 N -0.43 0.16 -3.85 -2.82 0.63 -1.26 -4.77 116.66 104.32 2hgu n ARG 44 Ca 0.03 -0.07 -0.27 0.00 -0.92 0.00 0.00 57.85 56.62 2hgu n ARG 44 Cb 0.83 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 32.07 2hgu n ARG 44 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2hgu s PHE 45 N -2.88 1.42 -0.10 -0.14 2.99 -1.26 -3.20 117.98 114.80 2hgu s PHE 45 Ca 0.16 -0.88 0.01 0.00 0.00 0.00 0.00 56.93 56.22 2hgu s PHE 45 Cb 0.18 -1.18 -0.02 0.00 0.00 0.00 0.00 43.02 42.00 2hgu s PHE 45 CO 0.60 -0.56 -0.14 -1.59 -0.00 0.00 0.00 175.22 173.53 2hgu s LYS 46 N 1.73 3.07 -0.60 0.44 0.00 -0.20 -4.98 119.74 119.21 2hgu s LYS 46 Ca 0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 55.97 55.03 2hgu s LYS 46 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 37.83 35.11 2hgu s LYS 46 CO -0.07 0.35 2.04 -2.14 0.00 0.00 0.00 175.35 175.53 2hgu s PRO 47 N -0.02 2.44 0.47 1.78 0.02 -1.26 -1.28 135.00 137.15 2hgu s PRO 47 Ca -0.04 0.78 0.01 0.00 0.02 0.00 0.00 61.00 61.77 2hgu s PRO 47 Cb -0.14 -4.50 0.01 0.00 0.02 0.00 0.00 34.50 29.89 2hgu s PRO 47 CO 0.04 -2.98 0.68 0.20 -0.33 0.00 0.00 177.00 174.61 2hgu s GLY 48 N 9.36 1.64 0.00 0.52 0.00 0.20 -4.77 107.32 114.26 2hgu s GLY 48 Ca 0.77 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2hgu s GLY 48 CO 0.20 -0.96 0.00 0.28 0.00 0.00 0.00 173.10 172.62 2hgu n LYS 49 N -2.11 0.00 -0.51 2.90 5.02 -1.26 -0.79 118.16 121.41 2hgu n LYS 49 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2hgu n LYS 49 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2hgu n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hgu n ASN 50 N 0.00 0.00 -4.85 4.39 3.02 -1.26 -1.22 115.26 115.34 2hgu n ASN 50 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2hgu n ASN 50 Cb 0.00 -0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 38.22 2hgu n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hgu s VAL 51 N -2.55 5.20 0.30 2.41 1.01 0.03 -0.94 120.40 125.86 2hgu s VAL 51 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 61.98 61.97 2hgu s VAL 51 Cb 0.00 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2hgu s VAL 51 CO 0.00 0.44 -0.15 -0.83 0.00 0.00 0.00 175.10 174.56 2hgu s GLY 52 N -1.53 1.96 -0.07 4.51 0.00 0.05 -4.23 107.32 108.01 2hgu s GLY 52 Ca 0.21 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 43.01 2hgu s GLY 52 CO 0.12 -1.97 -0.10 -0.29 0.00 0.00 0.00 173.10 170.86 2hgu s MET 53 N -3.56 2.76 0.13 2.90 1.75 -1.26 -0.67 119.30 121.35 2hgu s MET 53 Ca 0.30 -0.61 -0.00 0.00 -1.25 0.00 0.00 55.69 54.13 2hgu s MET 53 Cb -0.02 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 35.08 2hgu s MET 53 CO 0.15 0.59 0.30 0.20 -0.65 0.00 0.00 175.02 175.61 2hgu s GLY 54 N -0.63 1.99 0.00 2.11 0.00 0.03 -4.94 107.32 105.89 2hgu s GLY 54 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2hgu s GLY 54 CO 0.01 -0.80 0.00 0.54 0.00 0.00 0.00 173.10 172.86 2hgu n ARG 55 N -0.17 0.00 -0.12 2.90 5.12 -1.26 -0.96 116.66 122.18 2hgu n ARG 55 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2hgu n ARG 55 Cb 0.52 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 2hgu n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2hgu n ASP 56 N 1.37 0.00 -2.73 0.55 5.75 -1.26 -5.02 116.55 115.21 2hgu n ASP 56 Ca 0.00 -1.09 -0.14 0.00 -0.01 0.00 0.00 54.79 53.55 2hgu n ASP 56 Cb 0.00 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.13 2hgu n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2hgu n PHE 57 N 0.00 -1.71 -3.91 2.11 3.01 -0.13 -4.83 117.46 112.00 2hgu n PHE 57 Ca 0.00 0.69 -0.24 0.00 1.01 0.00 0.00 57.45 58.91 2hgu n PHE 57 Cb 0.52 -4.11 -0.17 0.00 -0.01 0.00 0.00 39.48 35.71 2hgu n PHE 57 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2hgu s THR 58 N -3.25 0.66 -0.12 4.37 2.01 -1.25 -1.11 115.64 116.95 2hgu s THR 58 Ca 0.13 -0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 2hgu s THR 58 Cb -0.06 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2hgu s THR 58 CO 0.52 0.30 0.58 -0.76 -0.69 0.00 0.00 174.62 174.57 2hgu s LEU 59 N 1.68 4.26 0.19 4.42 1.02 0.25 -0.79 118.68 129.70 2hgu s LEU 59 Ca 0.02 0.93 0.11 0.00 0.02 0.00 0.00 54.13 55.20 2hgu s LEU 59 Cb -0.13 -2.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 2hgu s LEU 59 CO -0.05 -0.10 -0.22 0.72 0.02 0.00 0.00 176.35 176.72 2hgu s PHE 60 N 0.99 2.14 -0.21 0.29 -0.00 0.16 -0.71 117.98 120.64 2hgu s PHE 60 Ca 0.30 -0.39 -0.29 0.00 -0.00 0.00 0.00 56.93 56.55 2hgu s PHE 60 Cb -0.16 -1.05 -0.03 0.00 -0.00 0.00 0.00 43.02 41.78 2hgu s PHE 60 CO 0.13 0.47 1.74 0.00 -0.00 0.00 0.00 175.22 177.56 2hgu s ALA 61 N -1.89 3.19 -1.39 1.99 0.00 0.14 -0.77 121.76 123.03 2hgu s ALA 61 Ca 0.20 0.57 0.25 0.00 0.00 0.00 0.00 51.96 52.98 2hgu s ALA 61 Cb -0.07 -3.90 0.41 0.00 0.00 0.00 0.00 23.12 19.57 2hgu s ALA 61 CO 0.09 -2.09 1.35 -0.11 0.00 0.00 0.00 175.76 175.00 2hgu n LEU 62 N 8.96 0.96 0.00 0.00 0.00 -0.11 -1.13 117.00 125.67 2hgu n LEU 62 Ca 0.21 -0.27 -0.08 0.00 0.00 0.00 0.00 56.01 55.87 2hgu n LEU 62 Cb 0.45 -0.13 0.03 0.00 0.00 0.00 0.00 43.42 43.76 2hgu n LEU 62 CO 0.66 0.20 0.50 1.33 0.00 0.00 0.00 177.39 180.08 2hgu n VAL 63 N -1.02 0.00 -2.78 1.96 0.24 -1.18 -4.85 118.33 110.69 2hgu n VAL 63 Ca 0.08 -0.88 -0.43 0.00 -2.04 0.00 0.00 64.34 61.08 2hgu n VAL 63 Cb 0.36 0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 33.58 2hgu n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2hgu s ASP 64 N -2.90 6.18 0.27 -1.34 1.11 -1.26 -2.13 116.67 116.61 2hgu s ASP 64 Ca 0.15 -0.81 0.06 0.00 0.18 0.00 0.00 52.55 52.13 2hgu s ASP 64 Cb -0.04 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 2hgu s ASP 64 CO 0.10 -1.52 0.23 0.61 1.18 0.00 0.00 175.17 175.78 2hgu n GLY 65 N 5.32 3.10 3.72 0.21 0.00 -0.26 -1.52 105.19 115.76 2hgu n GLY 65 Ca -0.02 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 2hgu n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu s VAL 66 N -3.12 4.34 -0.83 1.61 0.11 -0.18 -0.89 120.40 121.45 2hgu s VAL 66 Ca 0.33 -0.65 -0.26 0.00 -2.93 0.00 0.00 61.98 58.47 2hgu s VAL 66 Cb 0.02 -3.00 -0.19 0.00 -1.53 0.00 0.00 36.38 31.68 2hgu s VAL 66 CO 0.23 0.28 2.52 0.52 -3.33 0.00 0.00 175.10 175.33 2hgu n VAL 67 N 1.03 -0.03 -3.11 2.04 0.31 0.40 -1.20 118.33 117.78 2hgu n VAL 67 Ca -0.12 -0.34 -0.45 0.00 -0.01 0.00 0.00 64.34 63.41 2hgu n VAL 67 Cb 0.52 -1.23 -0.02 0.00 -0.91 0.00 0.00 33.84 32.21 2hgu n VAL 67 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hgu s GLU 68 N 8.52 3.74 -0.54 5.55 2.12 -0.00 -1.20 118.70 136.90 2hgu s GLU 68 Ca 1.21 -2.28 -0.27 0.00 0.36 0.00 0.00 54.97 53.99 2hgu s GLU 68 Cb -0.80 -4.73 -0.01 0.00 0.26 0.00 0.00 34.13 28.85 2hgu s GLU 68 CO 0.40 -1.55 1.72 -0.06 -0.54 0.00 0.00 175.26 175.23 2hgu s PHE 69 N 1.24 1.87 -0.82 5.30 0.40 -1.26 -0.73 117.98 123.98 2hgu s PHE 69 Ca 0.29 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 57.29 2hgu s PHE 69 Cb -0.07 -4.19 0.25 0.00 0.51 0.00 0.00 43.02 39.52 2hgu s PHE 69 CO -0.08 -2.36 0.92 0.94 0.70 0.00 0.00 175.22 175.34 2hgu n GLN 70 N 8.87 2.98 -1.62 0.44 7.27 -0.47 -4.96 117.38 129.88 2hgu n GLN 70 Ca 0.19 -4.59 -0.43 0.00 0.07 0.00 0.00 57.00 52.24 2hgu n GLN 70 Cb 0.50 -2.36 -0.03 0.00 2.41 0.00 0.00 30.24 30.76 2hgu n GLN 70 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2hgu n ASP 71 N 1.40 3.64 -1.88 1.69 -0.08 -1.25 -0.97 116.55 119.10 2hgu n ASP 71 Ca 0.26 0.48 -0.14 0.00 -1.51 0.00 0.00 54.79 53.88 2hgu n ASP 71 Cb 0.38 -1.55 0.02 0.00 2.34 0.00 0.00 41.12 42.30 2hgu n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2hgu n ARG 72 N 8.28 1.72 0.00 -0.67 5.12 -0.38 -4.84 116.66 125.89 2hgu n ARG 72 Ca 0.26 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 2hgu n ARG 72 Cb 0.43 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 2hgu n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgu n GLY 73 N 0.67 0.50 0.00 -0.13 0.00 -1.26 -1.01 105.19 103.97 2hgu n GLY 73 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2hgu n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgu n ARG 74 N 0.00 0.00 -0.29 1.61 -4.01 -1.26 -1.06 116.66 111.64 2hgu n ARG 74 Ca 0.00 0.00 0.11 0.00 -1.04 0.00 0.00 57.85 56.92 2hgu n ARG 74 Cb 0.00 0.00 0.25 0.00 -3.04 0.00 0.00 32.46 29.67 2hgu n ARG 74 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 2hgu h LEU 75 N 0.00 -0.21 0.00 2.89 4.07 -1.48 -3.46 115.31 117.12 2hgu h LEU 75 Ca 0.00 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2hgu h LEU 75 Cb 0.00 0.34 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2hgu h LEU 75 CO 0.00 -0.21 0.00 0.61 -1.08 0.00 0.00 178.44 177.76 2hgu n GLY 76 N -1.42 2.26 3.70 0.83 0.00 -0.23 -5.05 105.19 105.30 2hgu n GLY 76 Ca 0.19 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2hgu n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgu s ARG 77 N -1.60 4.43 -0.11 1.61 0.52 -1.20 -1.25 118.95 121.35 2hgu s ARG 77 Ca 0.00 1.04 0.01 0.00 -0.52 0.00 0.00 55.73 56.26 2hgu s ARG 77 Cb 0.00 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 32.00 2hgu s ARG 77 CO 0.00 -0.07 -0.14 0.71 0.02 0.00 0.00 175.30 175.82 2hgu s TYR 78 N 1.22 1.87 -0.14 -0.53 1.51 -0.14 -1.03 117.35 120.11 2hgu s TYR 78 Ca 0.41 -0.89 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 2hgu s TYR 78 Cb -0.18 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2hgu s TYR 78 CO 0.19 -0.48 0.12 0.14 -1.11 0.00 0.00 175.55 174.41 2hgu s VAL 79 N 1.10 5.32 0.13 0.71 -7.23 -0.40 -1.37 120.40 118.66 2hgu s VAL 79 Ca -0.05 0.15 0.07 0.00 -1.81 0.00 0.00 61.98 60.34 2hgu s VAL 79 Cb -0.14 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2hgu s VAL 79 CO -0.03 0.56 -0.17 -1.00 -0.31 0.00 0.00 175.10 174.14 2hgu s HIS 80 N -0.53 1.66 -0.47 2.82 3.76 0.09 -0.63 115.29 121.98 2hgu s HIS 80 Ca 0.12 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.40 2hgu s HIS 80 Cb -0.12 -0.86 0.08 0.00 1.11 0.00 0.00 32.58 32.79 2hgu s HIS 80 CO 0.02 0.23 0.39 0.08 -0.85 0.00 0.00 174.74 174.61 2hgu s VAL 81 N -1.81 5.11 0.03 -0.90 1.01 -0.36 -0.82 120.40 122.66 2hgu s VAL 81 Ca 0.10 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2hgu s VAL 81 Cb -0.07 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 2hgu s VAL 81 CO 0.05 -0.60 1.51 -0.60 0.00 0.00 0.00 175.10 175.45 2hgu s ARG 82 N 1.61 4.24 -0.80 2.72 3.52 -0.34 -4.72 118.95 125.19 2hgu s ARG 82 Ca 0.04 2.12 -0.28 0.00 -0.13 0.00 0.00 55.73 57.48 2hgu s ARG 82 Cb -0.25 -3.60 -0.17 0.00 -1.56 0.00 0.00 34.95 29.38 2hgu s ARG 82 CO 0.06 -0.65 2.55 -2.30 -0.81 0.00 0.00 175.30 174.15 2hgu n PRO 83 N 5.52 0.41 0.00 5.12 -0.02 -1.26 -1.01 135.00 143.76 2hgu n PRO 83 Ca 0.14 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2hgu n PRO 83 Cb 0.42 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2hgu n PRO 83 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2hgu n LEU 84 N 12.59 0.00 0.00 2.45 7.94 -0.57 -4.89 117.00 134.51 2hgu n LEU 84 Ca 0.55 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 2hgu n LEU 84 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.20 2hgu n LEU 84 CO 0.85 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.13